A fast-Fourier transform method to solve continuum-electrostatics problems with truncated electrostatic interactions: Algorithm and application to ionic solvation and ion-ion interaction

Journal of Chemical Physics

Volumn 119, Issue 23, 2003, Pages 12205-12223

  Peter, Christine ^a   Van Gunsteren, Wilfred F ^a   Hünenberger, Philippe H ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; BOUNDARY CONDITIONS; COMPUTER SIMULATION; COULOMB BLOCKADE; ELECTROSTATICS; EQUATIONS OF MOTION; FOURIER TRANSFORMS; FREE ENERGY; INTEGRAL EQUATIONS; PERTURBATION TECHNIQUES; PHASE INTERFACES; SOLVENTS;

BARKER-WATTS REACTION FIELD SCHEME; CONTINUUM ELECTROSTATICS; COULOMBIC INTERACTIONS; ION-ION INTERACTION; IONIC SOLVATION; MOLECULAR DYNAMIC SIMULATION;

CONTINUUM MECHANICS;

EID: 0347319420     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1624054     Document Type: Article

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